pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.06	IUPAC digitized pKa	0	-1	COc1ccc(C=O)c(C(=O)O)c1OC	COc1ccc(C=O)c(C(=O)[O-])c1OC	mol11209	COc1ccc(C=O)c(C(=O)O)c1OC
3.07	IUPAC digitized pKa	0	-1	COc1ccc(C=O)c(C(=O)O)c1OC	COc1ccc(C=O)c(C(=O)[O-])c1OC	mol11209	COc1ccc(C=O)c(C(=O)O)c1OC
3.05	AttenGpKa training set	0	-1	COc1ccc(C=O)c(C(=O)O)c1OC	COc1ccc(C=O)c(C(=O)[O-])c1OC	mol11209	COc1ccc(C=O)c(C(=O)O)c1OC